cyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone

C23H30N2O3S — CID 44582883

IUPACcyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc3ccccc23)C[C@H](C)N1C(=O)C1CCCCC1
InChIInChI=1S/C23H30N2O3S/c1-17-15-24(16-18(2)25(17)23(26)20-10-4-3-5-11-20)29(27,28)22-14-8-12-19-9-6-7-13-21(19)22/h6-9,12-14,17-18,20H,3-5,10-11,15-16H2,1-2H3/t17-,18+
InChIKeyCGDKNZWDQQQYIK-HDICACEKSA-N
MW414.57 g/mol
LogP4.03
Rot. Bonds3

About cyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone

cyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone (PubChem CID 44582883) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is cyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone
PubChem CID44582883
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Namecyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc3ccccc23)C[C@H](C)N1C(=O)C1CCCCC1
InChIInChI=1S/C23H30N2O3S/c1-17-15-24(16-18(2)25(17)23(26)20-10-4-3-5-11-20)29(27,28)22-14-8-12-19-9-6-7-13-21(19)22/h6-9,12-14,17-18,20H,3-5,10-11,15-16H2,1-2H3/t17-,18+
InChIKeyCGDKNZWDQQQYIK-HDICACEKSA-N
XLogP4.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclohexyl(3-(naphthalen-1-ylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 44582884
Cyclohexyl(4-(naphthalen-1-ylsulfonyl)piperazin-1-yl)methanone
CID 3868445
Cyclohexyl(2,2-dimethyl-4-(naphthalen-1-ylsulfonyl)piperazin-1-yl)methanone
CID 24944801
(S)-3-Methyl-2-(naphthalene-1-sulfonylamino)-pentanoic acid ((S)-1-benzyl-2-oxo-ethyl)-amide
CID 44356399
N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide
CID 2738666
Cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 3874660
N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-1-sulfonamide
CID 9820952
N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide
CID 10619437
N-methyl-N-[(2R)-4-[(3S)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide
CID 11793826
N-hydroxy-4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)butanamide
CID 11848949
(4-(Biphenyl-3-ylsulfonyl)piperazin-1-yl)(cyclohexyl)methanone
CID 24944973
Cyclohexyl(4-(naphthalen-1-ylsulfonyl)-2-(trifluoromethyl)piperazin-1-yl)methanone
CID 24945068

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone (CID 44582883) is cyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone is C[C@@H]1CN(S(=O)(=O)c2cccc3ccccc23)C[C@H](C)N1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone?
The InChIKey is CGDKNZWDQQQYIK-HDICACEKSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-17-15-24(16-18(2)25(17)23(26)20-10-4-3-5-11-20)29(27,28)22-14-8-12-19-9-6-7-13-21(19)22/h6-9,12-14,17-18,20H,3-5,10-11,15-16H2,1-2H3/t17-,18+.
What are the key properties of cyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone?
cyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone has a molecular weight of 414.57 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2R,6S)-2,6-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 44582883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).